CHEBI:157603 - isotrichodermol

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ChEBI Name isotrichodermol
ChEBI ID CHEBI:157603
Definition A trichothecene mycotoxin produced by Fusarium graminearum. It is a biosynthetic precursor in the synthesis of T2-toxin.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Kristian Axelsen
Supplier Information
Download Molfile XML SDF
Formula C15H22O3
Net Charge 0
Average Mass 250.338
Monoisotopic Mass 250.15689
InChI InChI=1S/C15H22O3/c1-9-4-5-13(2)11(6-9)18-12-10(16)7-14(13,3)15(12)8-17-15/h6,10-12,16H,4-5,7-8H2,1-3H3/t10-,11-,12-,13+,14-,15+/m1/s1
InChIKey ICJDGHMOMSQSLB-LACSLYJWSA-N
SMILES [H][C@@]12O[C@]3([H])C=C(C)CC[C@]3(C)[C@@](C)(C[C@H]1O)[C@]21CO1
Metabolite of Species Details
Fusarium graminearum (NCBI:txid5518) See: PubMed
Roles Classification
Biological Role(s): fungal metabolite
Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds.
mycotoxin
Poisonous substance produced by fungi.
(via trichothecene )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing isotrichodermol (CHEBI:157603) has role fungal metabolite (CHEBI:76946)
isotrichodermol (CHEBI:157603) is a organic heterotetracyclic compound (CHEBI:38163)
isotrichodermol (CHEBI:157603) is a secondary alcohol (CHEBI:35681)
isotrichodermol (CHEBI:157603) is a trichothecene (CHEBI:55517)
IUPAC Name
12,13-epoxytrichothec-9-en-3α-ol
Synonyms Sources
(3α)-12,13-epoxytrichothec-9-en-3-ol ChemIDplus
3-hydroxytrichothecene KNApSAcK
isotrichodermol UniProt
Manual Xrefs Databases
C00012644 KNApSAcK
CPD-18408 MetaCyc
FDB014496 FooDB
HMDB0035760 HMDB
View more database links
Registry Number Type Source
104155-10-4 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
10583973 PubMed citation Europe PMC
16917519 PubMed citation Europe PMC
18776660 PubMed citation Europe PMC
22069741 PubMed citation Europe PMC
27715009 PubMed citation Europe PMC
31717667 PubMed citation Europe PMC
8684431 PubMed citation Europe PMC
IND92029492 Agricola citation Europe PMC
Last Modified
26 November 2020